2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide

C14H24N2O — CID 107422950

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide
SMILESCC1(NC(=O)CC2CC3CCC2C3)CCNC1
InChIInChI=1S/C14H24N2O/c1-14(4-5-15-9-14)16-13(17)8-12-7-10-2-3-11(12)6-10/h10-12,15H,2-9H2,1H3,(H,16,17)
InChIKeyLIBCPQMMKLHFLF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.68
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide (PubChem CID 107422950) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide
PubChem CID107422950
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide
SMILESCC1(NC(=O)CC2CC3CCC2C3)CCNC1
InChIInChI=1S/C14H24N2O/c1-14(4-5-15-9-14)16-13(17)8-12-7-10-2-3-11(12)6-10/h10-12,15H,2-9H2,1H3,(H,16,17)
InChIKeyLIBCPQMMKLHFLF-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide (CID 107422950) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide is CC1(NC(=O)CC2CC3CCC2C3)CCNC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide?
The InChIKey is LIBCPQMMKLHFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(4-5-15-9-14)16-13(17)8-12-7-10-2-3-11(12)6-10/h10-12,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide has a molecular weight of 236.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 107422950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).